4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide

C15H13N3O3S — CID 5329850

IUPAC4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H13N3O3S/c16-22(19,20)13-8-6-12(7-9-13)18-15-17-10-14(21-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H2,16,19,20)
InChIKeyOKFOIEMZTIOWQH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.73
Rot. Bonds4

About 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide

4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide (PubChem CID 5329850) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
PubChem CID5329850
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H13N3O3S/c16-22(19,20)13-8-6-12(7-9-13)18-15-17-10-14(21-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H2,16,19,20)
InChIKeyOKFOIEMZTIOWQH-UHFFFAOYSA-N
XLogP2.73
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide (CID 5329850) is 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
The InChIKey is OKFOIEMZTIOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-22(19,20)13-8-6-12(7-9-13)18-15-17-10-14(21-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H2,16,19,20).
What are the key properties of 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide?
4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 5329850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).